1-(4-ethylpiperazin-1-yl)-4-[4-(3-oxidanylpropyl)phenyl]isoquinoline-3-carbonitrile

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-[4-(3-oxidanylpropyl)phenyl]isoquinoline-3-carbonitrile Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-[4-(3-hydroxypropyl)phenyl]isoquinoline-3-carbonitrile CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[4-(3-hydroxypropyl)phenyl]-3-isoquinolinecarbonitrile IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-[4-(3-hydroxypropyl)phenyl]isoquinoline-3-carbonitrile Traditional Name: 1-(4-ethylpiperazino)-4-[4-(3-hydroxypropyl)phenyl]isoquinoline-3-carbonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)C4=CC=C(C=C4)CCCO)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)C4=CC=C(C=C4)CCCO)C#N

InChI

InChI=1S/C25H28N4O/c1-2-28-13-15-29(16-14-28)25-22-8-4-3-7-21(22)24(23(18-26)27-25)20-11-9-19(10-12-20)6-5-17-30/h3-4,7-12,30H,2,5-6,13-17H2,1H3